N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide

C12H14N4O3S — CID 91514082

IUPACN'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide
SMILESCC(C)Oc1ccc(Oc2ncc(C(N)=NO)s2)cn1
InChIInChI=1S/C12H14N4O3S/c1-7(2)18-10-4-3-8(5-14-10)19-12-15-6-9(20-12)11(13)16-17/h3-7,17H,1-2H3,(H2,13,16)
InChIKeySISPUTBFNOLVEI-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.21
Rot. Bonds5

About N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide

N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide (PubChem CID 91514082) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide
PubChem CID91514082
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide
SMILESCC(C)Oc1ccc(Oc2ncc(C(N)=NO)s2)cn1
InChIInChI=1S/C12H14N4O3S/c1-7(2)18-10-4-3-8(5-14-10)19-12-15-6-9(20-12)11(13)16-17/h3-7,17H,1-2H3,(H2,13,16)
InChIKeySISPUTBFNOLVEI-UHFFFAOYSA-N
XLogP2.21
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea
CID 141350281
(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide
CID 140565587
6-propan-2-yloxypyridine-3-carbothioamide
CID 24703491
5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole
CID 67097044
2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol
CID 67071852
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
2-(dimethylamino)-N'-hydroxy-1,3-thiazole-5-carboximidamide
CID 83876677
N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide
CID 83879802
4-[(5-acetyl-1,3-thiazol-2-yl)oxy]benzamide
CID 142116908
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide
CID 175971380

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide (CID 91514082) is N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide is CC(C)Oc1ccc(Oc2ncc(C(N)=NO)s2)cn1.
What is the InChIKey of N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide?
The InChIKey is SISPUTBFNOLVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7(2)18-10-4-3-8(5-14-10)19-12-15-6-9(20-12)11(13)16-17/h3-7,17H,1-2H3,(H2,13,16).
What are the key properties of N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide?
N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide has a molecular weight of 294.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 91514082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).